Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2pyf_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 1.A N ASP 24.A OD1 no hydrogen 2.748 N/A THR 3.A N ALA 22.A O no hydrogen 2.867 N/A GLN 4.A NE2 TYR 87.A O no hydrogen 3.050 N/A GLN 4.A NE2 SER 106.A OG no hydrogen 3.198 N/A THR 5.A N GLN 20.A O no hydrogen 3.172 N/A LYS 7.A NZ GLN 4.A O no hydrogen 2.715 N/A GLN 9.A N ARG 107.A O no hydrogen 2.947 N/A GLN 9.A NE2 PHE 8.A O no hydrogen 3.641 N/A LEU 11.A N THR 109.A O no hydrogen 2.822 N/A LYS 12.A NZ GLU 112.A O no hydrogen 2.524 N/A THR 13.A N LEU 111.A O no hydrogen 2.573 N/A THR 13.A OG1 LEU 111.A O no hydrogen 3.045 N/A GLY 14.A N ALA 79.A O no hydrogen 2.741 N/A GLN 15.A N LYS 12.A O no hydrogen 2.972 N/A MET 17.A N LEU 76.A O no hydrogen 3.016 N/A LEU 19.A N LEU 74.A O no hydrogen 2.786 N/A GLN 20.A N THR 5.A O no hydrogen 2.859 N/A ALA 22.A N THR 3.A O no hydrogen 3.118 N/A GLN 23.A N GLU 70.A O no hydrogen 3.057 N/A HIS 27.A ND1 SER 91.A OG no hydrogen 2.946 N/A GLU 28.A N GLU 28.A OE1 no hydrogen 2.740 N/A TYR 29.A N SER 92.A O no hydrogen 3.299 N/A MET 30.A N SER 47.A O no hydrogen 3.007 N/A SER 31.A N ALA 90.A O no hydrogen 2.861 N/A SER 31.A OG ALA 90.A O no hydrogen 3.299 N/A TRP 32.A N HIS 45.A O no hydrogen 3.028 N/A TRP 32.A NE1 PHE 72.A O no hydrogen 2.922 N/A TYR 33.A N PHE 88.A O no hydrogen 2.799 N/A ARG 34.A N ARG 42.A O no hydrogen 3.135 N/A ARG 34.A NH2 SER 82.A O no hydrogen 2.993 N/A GLN 35.A N VAL 86.A O no hydrogen 2.800 N/A ASP 36.A N GLY 40.A O no hydrogen 3.480 N/A MET 39.A N ASP 36.A O no hydrogen 3.051 N/A ARG 42.A N ARG 34.A O no hydrogen 3.017 N/A ARG 42.A NH2 ASP 36.A OD2 no hydrogen 3.091 N/A ILE 44.A N TRP 32.A O no hydrogen 2.755 N/A HIS 45.A NE2 TYR 62.A O no hydrogen 3.183 N/A TYR 46.A N ASP 54.A O no hydrogen 2.880 N/A SER 47.A N MET 30.A O no hydrogen 2.821 N/A SER 47.A OG THR 52.A O no hydrogen 2.403 N/A GLY 51.A N ARG 66.A O no hydrogen 2.534 N/A ASP 54.A N TYR 46.A O no hydrogen 2.657 N/A GLY 56.A N ILE 44.A O no hydrogen 2.680 N/A GLU 57.A N LEU 43.A O no hydrogen 2.687 N/A VAL 58.A N LEU 43.A O no hydrogen 3.087 N/A TYR 62.A N PRO 59.A O no hydrogen 3.138 N/A TYR 62.A OH TYR 87.A OH no hydrogen 2.598 N/A ASN 63.A N ARG 75.A O no hydrogen 2.916 N/A ASN 63.A ND2 TYR 62.A O no hydrogen 2.486 N/A ARG 66.A NE THR 68.A O no hydrogen 3.148 N/A ARG 66.A NE ILE 69.A O no hydrogen 3.232 N/A ARG 66.A NH1 GLU 28.A O no hydrogen 2.841 N/A ARG 66.A NH1 SER 47.A O no hydrogen 3.452 N/A ARG 66.A NH1 SER 47.A OG no hydrogen 3.056 N/A ARG 66.A NH2 GLU 28.A O no hydrogen 3.161 N/A ARG 66.A NH2 ILE 69.A O no hydrogen 2.805 N/A GLU 70.A N GLU 70.A OE1 no hydrogen 2.472 N/A PHE 72.A N CYS 21.A O no hydrogen 3.057 N/A LEU 74.A N LEU 19.A O no hydrogen 2.889 N/A ARG 75.A N ASN 63.A O no hydrogen 2.698 N/A ARG 75.A NH1 THR 18.A OG1 no hydrogen 2.910 N/A LEU 76.A N MET 17.A O no hydrogen 2.929 N/A ALA 79.A N GLN 15.A O no hydrogen 2.864 N/A ALA 80.A N GLN 83.A OE1 no hydrogen 3.018 N/A GLN 83.A N ALA 80.A O no hydrogen 2.822 N/A GLN 83.A NE2 GLY 61.A O no hydrogen 3.233 N/A THR 84.A N PRO 81.A O no hydrogen 3.191 N/A THR 84.A OG1 PRO 81.A O no hydrogen 3.124 N/A SER 85.A N LEU 108.A O no hydrogen 2.895 N/A SER 85.A OG GLN 35.A O no hydrogen 3.053 N/A SER 85.A OG ASP 36.A OD1 no hydrogen 3.102 N/A SER 85.A OG VAL 86.A O no hydrogen 3.338 N/A TYR 87.A N SER 106.A O no hydrogen 2.791 N/A TYR 87.A OH TYR 62.A OH no hydrogen 2.598 N/A TYR 87.A OH GLN 83.A O no hydrogen 2.415 N/A PHE 88.A N TYR 33.A O no hydrogen 2.849 N/A CYS 89.A N GLN 4.A OE1 no hydrogen 2.725 N/A CYS 89.A SG SER 31.A O no hydrogen 3.835 N/A ALA 90.A N SER 31.A O no hydrogen 3.036 N/A SER 91.A N PHE 101.A O no hydrogen 2.941 N/A SER 91.A OG HIS 27.A ND1 no hydrogen 2.946 N/A SER 92.A N TYR 29.A O no hydrogen 3.201 N/A TYR 93.A OH MET 25.A O no hydrogen 2.628 N/A LEU 94.A N GLU 28.A OE1 no hydrogen 2.782 N/A PHE 101.A N SER 91.A O no hydrogen 2.856 N/A GLY 103.A N CYS 89.A O no hydrogen 2.935 N/A SER 106.A N TYR 87.A O no hydrogen 2.730 N/A SER 106.A OG PRO 6.A O no hydrogen 2.785 N/A ARG 107.A N LYS 7.A O no hydrogen 2.800 N/A LEU 108.A N SER 85.A O no hydrogen 2.995 N/A THR 109.A N GLN 9.A O no hydrogen 3.061 N/A VAL 110.A N THR 84.A OG1 no hydrogen 2.675 N/A LEU 111.A N LEU 11.A O no hydrogen 2.759 N/A GLU 112.A N GLU 112.A OE1 no hydrogen 2.507 N/A LYS 115.A N ASP 113.A OD1 no hydrogen 3.425 N/A ASN 116.A N ASP 113.A O no hydrogen 3.336 N/A VAL 117.A N LEU 114.A O no hydrogen 3.168 N/A PHE 118.A N TYR 148.A O no hydrogen 2.773 N/A GLU 121.A N THR 145.A O no hydrogen 2.974 N/A ALA 123.A N LEU 143.A O no hydrogen 3.082 N/A PHE 125.A N VAL 141.A O no hydrogen 2.685 N/A ALA 130.A N SER 128.A OG no hydrogen 3.257 N/A ILE 132.A N SER 128.A O no hydrogen 3.463 N/A SER 133.A N GLU 129.A O no hydrogen 3.314 N/A SER 133.A OG GLU 129.A O no hydrogen 2.826 N/A SER 133.A OG ALA 130.A O no hydrogen 3.144 N/A HIS 134.A N ALA 130.A O no hydrogen 3.124 N/A HIS 134.A N GLU 131.A O no hydrogen 3.135 N/A THR 135.A N GLU 131.A O no hydrogen 2.694 N/A THR 135.A OG1 GLU 131.A O no hydrogen 2.730 N/A GLN 136.A N ILE 132.A O no hydrogen 2.724 N/A LYS 137.A N THR 135.A OG1 no hydrogen 3.263 N/A LYS 137.A NZ THR 135.A O no hydrogen 3.269 N/A ALA 138.A N VAL 193.A O no hydrogen 2.841 N/A THR 139.A N GLU 131.A OE1 no hydrogen 3.121 N/A THR 139.A OG1 GLU 131.A OE2 no hydrogen 2.806 N/A LEU 140.A N LEU 191.A O no hydrogen 2.733 N/A VAL 141.A N PHE 125.A O no hydrogen 3.163 N/A CYS 142.A N SER 189.A O no hydrogen 3.053 N/A LEU 143.A N ALA 123.A O no hydrogen 2.883 N/A ALA 144.A N LEU 187.A O no hydrogen 2.931 N/A THR 145.A N GLU 121.A O no hydrogen 2.954 N/A GLY 146.A N GLU 176.A OE2 no hydrogen 2.717 N/A PHE 147.A N TYR 185.A O no hydrogen 3.205 N/A TYR 148.A N PHE 118.A O no hydrogen 2.832 N/A HIS 151.A N PRO 149.A O no hydrogen 2.852 N/A GLU 153.A N GLN 210.A O no hydrogen 3.064 N/A SER 155.A N GLN 208.A O no hydrogen 2.963 N/A TRP 156.A NE1 SER 189.A OG no hydrogen 2.914 N/A TRP 157.A N ARG 206.A O no hydrogen 2.745 N/A TRP 157.A NE1 SER 155.A OG no hydrogen 3.077 N/A VAL 158.A N LYS 161.A O no hydrogen 3.016 N/A ASN 159.A N HIS 204.A O no hydrogen 2.909 N/A ASN 159.A ND2 ASN 203.A OD1 no hydrogen 3.327 N/A LYS 161.A N VAL 158.A O no hydrogen 3.173 N/A VAL 163.A N TRP 156.A O no hydrogen 3.122 N/A CYS 168.A N ARG 190.A O no hydrogen 3.204 N/A THR 169.A OG1 SER 189.A OG no hydrogen 2.447 N/A ASP 170.A N SER 188.A O no hydrogen 3.076 N/A LEU 174.A N ALA 186.A O no hydrogen 3.052 N/A LYS 175.A NZ TYR 185.A OH no hydrogen 2.844 N/A GLU 176.A N ARG 184.A O no hydrogen 2.944 N/A GLN 177.A N SER 183.A OG no hydrogen 2.916 N/A LEU 180.A N GLN 177.A O no hydrogen 2.985 N/A SER 183.A N LEU 180.A O no hydrogen 3.398 N/A SER 183.A OG GLN 177.A O no hydrogen 3.176 N/A SER 183.A OG ARG 184.A O no hydrogen 3.017 N/A ARG 184.A NE GLY 146.A O no hydrogen 2.791 N/A ARG 184.A NH2 GLY 146.A O no hydrogen 3.042 N/A TYR 185.A N PHE 147.A O no hydrogen 2.722 N/A ALA 186.A N LEU 174.A O no hydrogen 3.034 N/A LEU 187.A N ALA 144.A O no hydrogen 2.881 N/A SER 188.A N ASP 170.A OD2 no hydrogen 3.180 N/A SER 188.A OG ASP 170.A OD2 no hydrogen 2.742 N/A SER 189.A N CYS 142.A O no hydrogen 3.095 N/A SER 189.A OG CYS 168.A O no hydrogen 3.261 N/A SER 189.A OG THR 169.A OG1 no hydrogen 2.447 N/A ARG 190.A N CYS 168.A O no hydrogen 2.838 N/A ARG 190.A NH1 ASP 170.A OD1 no hydrogen 2.792 N/A ARG 190.A NH2 ASP 170.A OD1 no hydrogen 3.381 N/A LEU 191.A N LEU 140.A O no hydrogen 2.980 N/A ARG 192.A N GLY 166.A O no hydrogen 2.759 N/A VAL 193.A N ALA 138.A O no hydrogen 2.874 N/A SER 194.A OG THR 196.A OG1 no hydrogen 3.288 N/A ALA 195.A N GLN 136.A O no hydrogen 2.954 N/A THR 196.A OG1 SER 194.A OG no hydrogen 3.288 N/A PHE 197.A N SER 194.A O no hydrogen 3.111 N/A TRP 198.A N SER 194.A O no hydrogen 3.277 N/A GLN 199.A N ALA 195.A O no hydrogen 2.915 N/A ASP 200.A N PHE 197.A O no hydrogen 3.449 N/A ARG 202.A N ASP 200.A OD1 no hydrogen 3.208 N/A ASN 203.A N ASP 200.A O no hydrogen 3.101 N/A ASN 203.A ND2 PHE 197.A O no hydrogen 2.628 N/A HIS 204.A N ASN 159.A OD1 no hydrogen 2.934 N/A HIS 204.A NE2 GLU 235.A OE1 no hydrogen 2.581 N/A PHE 205.A N ALA 236.A O no hydrogen 2.827 N/A ARG 206.A N TRP 157.A O no hydrogen 2.825 N/A ARG 206.A NH1 GLN 208.A OE1 no hydrogen 2.477 N/A ARG 206.A NH2 GLN 208.A OE1 no hydrogen 3.103 N/A CYS 207.A N ALA 234.A O no hydrogen 2.989 N/A GLN 208.A N SER 155.A O no hydrogen 2.912 N/A VAL 209.A N VAL 232.A O no hydrogen 2.867 N/A GLN 210.A N GLU 153.A O no hydrogen 2.823 N/A PHE 211.A N GLN 230.A O no hydrogen 2.655 N/A TYR 212.A N HIS 151.A O no hydrogen 2.917 N/A TYR 212.A OH GLU 153.A OE1 no hydrogen 3.110 N/A GLY 213.A N THR 229.A OG1 no hydrogen 3.315 N/A LEU 214.A N PRO 227.A O no hydrogen 2.932 N/A SER 215.A N ASP 218.A OD2 no hydrogen 3.403 N/A ASP 218.A N SER 215.A O no hydrogen 3.484 N/A GLU 219.A N GLU 219.A OE2 no hydrogen 2.504 N/A TRP 220.A NE1 ARG 224.A O no hydrogen 3.007 N/A ARG 224.A NH1 VAL 117.A O no hydrogen 3.101 N/A ARG 224.A NH2 VAL 117.A O no hydrogen 3.431 N/A LYS 226.A NZ SER 215.A O no hydrogen 2.502 N/A LYS 226.A NZ ASP 218.A O no hydrogen 2.622 N/A VAL 228.A N LYS 226.A O no hydrogen 2.915 N/A THR 229.A N LEU 214.A O no hydrogen 3.250 N/A GLN 230.A N PHE 211.A O no hydrogen 2.795 N/A GLN 230.A NE2 VAL 228.A O no hydrogen 3.007 N/A VAL 232.A N VAL 209.A O no hydrogen 3.055 N/A ALA 234.A N CYS 207.A O no hydrogen 3.021 N/A ALA 236.A N PHE 205.A O no hydrogen 3.015 N/A GLY 238.A N ASN 203.A O no hydrogen 2.883 N/A ARG 239.A N TRP 198.A O no hydrogen 2.812 N/A